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Joshua Kretchmer
Joshua Kretchmer
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Title
Cited by
Cited by
Year
Direct simulation of proton-coupled electron transfer across multiple regimes
JS Kretchmer, TF Miller
The Journal of chemical physics 138 (13), 2013
922013
Tipping the balance between concerted versus sequential proton-coupled electron transfer
JS Kretchmer, TF Miller III
Inorganic Chemistry 55 (3), 1022-1031, 2016
542016
Long-range proton-coupled electron-transfer reactions of bis (imidazole) iron tetraphenylporphyrins linked to benzoates
JJ Warren, AR Menzeleev, JS Kretchmer, TF Miller III, HB Gray, JM Mayer
The journal of physical chemistry letters 4 (3), 519-523, 2013
502013
Cluster size convergence of the density matrix embedding theory and its dynamical cluster formulation: A study with an auxiliary-field quantum Monte Carlo solver
BX Zheng, JS Kretchmer, H Shi, S Zhang, GKL Chan
Physical Review B 95 (4), 045103, 2017
482017
Fluctuating hydrogen-bond networks govern anomalous electron transfer kinetics in a blue copper protein
JS Kretchmer, N Boekelheide, JJ Warren, JR Winkler, HB Gray, ...
Proceedings of the National Academy of Sciences 115 (24), 6129-6134, 2018
452018
A real-time extension of density matrix embedding theory for non-equilibrium electron dynamics
JS Kretchmer, GK Chan
The Journal of chemical physics 148 (5), 2018
372018
Kinetically-constrained ring-polymer molecular dynamics for non-adiabatic chemistries involving solvent and donor–acceptor dynamical effects
JS Kretchmer, TF Miller III
Faraday Discussions 195, 191-214, 2016
332016
O(3P) + C2H4 Potential Energy Surface: Study at the Multireference Level
AC West, JS Kretchmer, B Sellner, K Park, WL Hase, H Lischka, ...
The Journal of Physical Chemistry A 113 (45), 12663-12674, 2009
322009
Density-matrix embedding theory study of the one-dimensional Hubbard–Holstein model
TE Reinhard, U Mordovina, C Hubig, JS Kretchmer, U Schollwöck, ...
Journal of chemical theory and computation 15 (4), 2221-2232, 2019
302019
Interfacial thermal transport between graphene and diamane
Y Hong, JS Kretchmer
The Journal of Chemical Physics 156 (16), 2022
52022
The fate of atomic spin in atomic scattering off surfaces
JS Kretchmer, GKL Chan
The Journal of Physical Chemistry Letters 9 (11), 2863-2868, 2018
52018
Solvent and a-site cation control preferred crystallographic orientation in bromine-based perovskite thin films
J Hidalgo, Y An, D Yehorova, R Li, J Breternitz, CAR Perini, A Hoell, ...
Chemistry of Materials 35 (11), 4181-4191, 2023
22023
A multi-fragment real-time extension of projected density matrix embedding theory: Non-equilibrium electron dynamics in extended systems
D Yehorova, JS Kretchmer
The Journal of Chemical Physics 158 (13), 2023
12023
Splitting a system into small fragments: Electron dynamics from real-time density matrix embedding theory
J Kretchmer, G Chan, JSK Team
APS March Meeting Abstracts 2018, V03. 008, 2018
2018
Fully quantum simulation of surface enhanced Raman scattering from real-time ab-initio methods
J Kretchmer, G Chan
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 254, 2017
2017
Direct simulation of non-adiabatic dynamics in large-scale enzymatic systems
J Kretchmer, T Miller
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 254, 2017
2017
Direct simulation of charge-transfer dynamics in enzymatic systems
J Kretchmer, T Miller
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 251, 2016
2016
Non-equilibrium electron dynamics from a real-time extension of density matrix embedding theory
J Kretchmer, G Chan
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 251, 2016
2016
Direct simulation of proton-coupled electron transfer reaction dynamics and mechanisms
JS Kretchmer
California Institute of Technology, 2015
2015
Direct simulation of proton coupled electron transfer dynamics
J Kretchmer, AR Menzeleev, N Ananth, TF Miller
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 243, 2012
2012
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